3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide

C25H24N4O — CID 50857574

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESCc1cc(/C=N\NC(=O)c2cccc(-n3c(C)ccc3C)c2)cn1-c1ccccc1
InChIInChI=1S/C25H24N4O/c1-18-12-13-19(2)29(18)24-11-7-8-22(15-24)25(30)27-26-16-21-14-20(3)28(17-21)23-9-5-4-6-10-23/h4-17H,1-3H3,(H,27,30)/b26-16-
InChIKeyZFMVTIOUPGLYFH-QQXSKIMKSA-N
MW396.49 g/mol
LogP4.96
Rot. Bonds5

About 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide

3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide (PubChem CID 50857574) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
PubChem CID50857574
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESCc1cc(/C=N\NC(=O)c2cccc(-n3c(C)ccc3C)c2)cn1-c1ccccc1
InChIInChI=1S/C25H24N4O/c1-18-12-13-19(2)29(18)24-11-7-8-22(15-24)25(30)27-26-16-21-14-20(3)28(17-21)23-9-5-4-6-10-23/h4-17H,1-3H3,(H,27,30)/b26-16-
InChIKeyZFMVTIOUPGLYFH-QQXSKIMKSA-N
XLogP4.96
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137045218
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]benzamide
CID 50853902
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126115211
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]benzamide
CID 126002547
3-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 136961293
2-chloro-4-methyl-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857524
N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50855888
2-methoxy-4-methyl-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50857495
4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
CID 50857660
2-(3-methoxyphenyl)-N-[(E)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50857477
4-(2,5-dimethylpyrrol-1-yl)-N-[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 50856364
N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline
CID 50857555

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide (CID 50857574) is 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide is Cc1cc(/C=N\NC(=O)c2cccc(-n3c(C)ccc3C)c2)cn1-c1ccccc1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The InChIKey is ZFMVTIOUPGLYFH-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-12-13-19(2)29(18)24-11-7-8-22(15-24)25(30)27-26-16-21-14-20(3)28(17-21)23-9-5-4-6-10-23/h4-17H,1-3H3,(H,27,30)/b26-16-.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 50857574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).